Vitas-M small molecule compound

methyl 3-cyclohexyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK207434
SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)C1CCCCC1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H18N2O3S MW 318.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S/c1-21-15(20)10-7-8-12-13(9-10)17-16(22)18(14(12)19)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,22)
InChIKey
PRAXOMIPYLOGDK-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCCC3
COC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)C1CCCCC1
InChI=1SC16H18N2O3Sc12115(20)10781213(910)1716(22)18(14(12)19)115324611h7911H26H21H3(H1722)
METHYL3CYCLOHEXYL4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
methyl3cyclohexyl4oxo2thioxo1234tetrahydroquinazoline7carboxylate
METHYL3CYCLOHEXYL4OXO2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
MFCD02111373
ZINC000000211059
ZINC00211059
ZINC211059

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.